(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide

C16H33N3O — CID 138737304

IUPAC(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide
SMILESCCCN/C=C/C(C)CCC(=O)NCCCC(C)CN
InChIInChI=1S/C16H33N3O/c1-4-10-18-12-9-14(2)7-8-16(20)19-11-5-6-15(3)13-17/h9,12,14-15,18H,4-8,10-11,13,17H2,1-3H3,(H,19,20)/b12-9+
InChIKeyNIQWMLGMLHLCQJ-FMIVXFBMSA-N
MW283.46 g/mol
LogP2.41
Rot. Bonds12

About (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide

(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide (PubChem CID 138737304) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide.

Molecular Properties

Compound Name(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide
PubChem CID138737304
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide
SMILESCCCN/C=C/C(C)CCC(=O)NCCCC(C)CN
InChIInChI=1S/C16H33N3O/c1-4-10-18-12-9-14(2)7-8-16(20)19-11-5-6-15(3)13-17/h9,12,14-15,18H,4-8,10-11,13,17H2,1-3H3,(H,19,20)/b12-9+
InChIKeyNIQWMLGMLHLCQJ-FMIVXFBMSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide?
The IUPAC name of (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide (CID 138737304) is (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide.
What is the SMILES notation for (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide?
The canonical SMILES for (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide is CCCN/C=C/C(C)CCC(=O)NCCCC(C)CN.
What is the InChIKey of (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide?
The InChIKey is NIQWMLGMLHLCQJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-10-18-12-9-14(2)7-8-16(20)19-11-5-6-15(3)13-17/h9,12,14-15,18H,4-8,10-11,13,17H2,1-3H3,(H,19,20)/b12-9+.
What are the key properties of (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide?
(E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide has a molecular weight of 283.46 g/mol, XLogP of 2.41, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-amino-4-methylpentyl)-4-methyl-6-(propylamino)hex-5-enamide is sourced from PubChem (CID 138737304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).